3,4-dichloro-α-(trichloromethyl)benzyl Acetate
Everything that changed this flow. Back to the flow
a48778cc-04cb-44c9-a917-ebb887c788ca
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'MB 6046' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=3,4-dichloro-α-(trichloromethyl)benzylacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'21757-82-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-29bb75fc14ff6e61: {'21757-82-4': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['21757-82-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[89040]; selected_pubchem_cids=[89040]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,358 | bootstrap_labels | prefLabel | — | [{"@value":"3,4-dichloro-α-(trichloromethyl)benzyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Bootstrapped prefLabel from legacy name field |
| 5,359 | bootstrap_labels | name | 3,4-dichloro-α-(trichloromethyl)benzyl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 5,360 | bootstrap_labels | synonyms | ["2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethanol acetate","3,4-Dichloro-alpha-(trichloromethyl)benzenemethyl acetate","3… | [] | Removed legacy synonyms field in favor of structured labels |
| 147,748 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 147,749 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,128 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,333 | normalize_name_case | prefLabel | [{"@value":"3,4-dichloro-α-(trichloromethyl)benzyl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | [{"@value":"3,4-dichloro-α-(trichloromethyl)benzyl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,331 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,332 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,333 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.822C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['21757-82-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[89040]; selected_pubchem_cids=[89040]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,797 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | rdkit_pre_consensus from 'CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 261,526 | consensus_match | altLabel | [] | [{"@value":"(±)-Acetofenate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | group_key=3,4-dichloro-α-(trichloromethyl)benzylacetate||dimension=Environmental > media=Air > strata=Long-term; cas=21757-82-4; added Common Chemistry CAS names as altLabel: (±)-Acetofenate, 1-(3,4-Dichlorophenyl)-2,2,2-trichloroethyl acetate, 2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethyl acetate, Acetofenate, BAY-MEB 6046, Baygon MEB, Benzenemethanol, 3,4-dichloro-α-(trichloromethyl)-, 1-acetate, Benzenemethanol, 3,4-dichloro-α-(trichloromethyl)-, acetate, Benzyl alcohol, 3,4-dichloro-α-(trichloromethyl)-, acetate, MB 6046, Penfenate, Plifenate, β,β,β-Trichloro-α-(3,4-dichlorophenyl)ethanol acetate, β,β,β-Trichloro-α-(3,4-dichlorophenyl)ethyl acetate; object_uuid=fo-29bb75fc14ff6e61 |
| 261,527 | consensus_match | cas_match_labels | — | {"21757-82-4":"exactMatch"} | group_key=3,4-dichloro-α-(trichloromethyl)benzylacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'21757-82-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-29bb75fc14ff6e61: {'21757-82-4': 'exactMatch'} |
| 274,936 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,4-dichloro-α-(trichloromethyl)benzyl Acetate' |
| 281,414 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | rdkit_post_consensus from 'CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,350 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-Acetofenate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | [{"@value":"(±)-Acetofenate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | Removed 1 catalogue altLabel value(s): 'MB 6046' (grade code) |
| 354,896 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a48778cc-04cb-… | associations resolved on the elementary layer |
| 389,241 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H7Cl5O2… | typed the way the ontology types it |
| 396,306 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/5358 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v0 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v1 |
| ef:activity/change/20260821T1554374006150000/5359 | name | ef:agent/bootstrap_labels | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v1 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v2 |
| ef:activity/change/20260821T1554374006150000/5360 | synonyms | ef:agent/bootstrap_labels | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v2 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v3 |
| ef:activity/change/20260821T1554374006150000/147748 | context | ef:agent/default_context_mapping | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v3 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v4 |
| ef:activity/change/20260821T1554374006150000/147749 | context_iri | ef:agent/default_context_mapping | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v4 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v5 |
| ef:activity/change/20260821T1554374006150000/215128 | unit_iri | ef:agent/unit_normalization | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v5 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v6 |
| ef:activity/change/20260821T1554374006150000/222333 | prefLabel | ef:agent/normalize_name_case | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v6 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v7 |
| ef:activity/change/20260821T1554374006150000/232331 | properties | ef:agent/enrich_references | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v7 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v8 |
| ef:activity/change/20260821T1554374006150000/232332 | skos_definition | ef:agent/enrich_references | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v8 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v9 |
| ef:activity/change/20260821T1554374006150000/232333 | references | ef:agent/enrich_references | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v9 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v10 |
| ef:activity/change/20260821T1554374006150000/249797 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v10 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v11 |
| ef:activity/change/20260821T1554374006150000/261526 | altLabel | ef:agent/consensus_match | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v11 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v12 |
| ef:activity/change/20260821T1554374006150000/261527 | cas_match_labels | ef:agent/consensus_match | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v12 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v13 |
| ef:activity/change/20260821T1554374006150000/274936 | properties | ef:agent/opsin_iupac | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v13 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v14 |
| ef:activity/change/20260821T1554374006150000/281414 | properties | ef:agent/rdkit_post_consensus | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v14 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v15 |
| ef:activity/change/20260821T1554374006150000/288350 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v15 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v16 |
| ef:activity/change/20260821T1554374006150000/354896 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v16 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v17 |
| ef:activity/change/20260821T1554374006150000/389241 | properties | ef:agent/normalise_property_values | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v17 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v18 |
| ef:activity/change/20260821T1554374006150000/396306 | types | ef:agent/link_flows_to_their_substance | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v18 | ef:flow/a48778cc-04cb-44c9-a917-ebb887c788ca/v19 |